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[4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

C23H38N2O3 — CID 153420618

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCC1CCC(C)C(C2CCC(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)CC2)C1
InChIInChI=1S/C23H38N2O3/c1-16-3-4-17(2)20(15-16)18-5-7-19(8-6-18)21(26)24-11-13-25(14-12-24)22(27)23(28)9-10-23/h16-20,28H,3-15H2,1-2H3
InChIKeyOLRJHTRIMXTSQN-UHFFFAOYSA-N
MW390.57 g/mol
LogP3.06
Rot. Bonds3

About [4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

[4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (PubChem CID 153420618) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is [4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
PubChem CID153420618
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Name[4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCC1CCC(C)C(C2CCC(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)CC2)C1
InChIInChI=1S/C23H38N2O3/c1-16-3-4-17(2)20(15-16)18-5-7-19(8-6-18)21(26)24-11-13-25(14-12-24)22(27)23(28)9-10-23/h16-20,28H,3-15H2,1-2H3
InChIKeyOLRJHTRIMXTSQN-UHFFFAOYSA-N
XLogP3.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (CID 153420618) is [4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is CC1CCC(C)C(C2CCC(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)CC2)C1.
What is the InChIKey of [4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is OLRJHTRIMXTSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-16-3-4-17(2)20(15-16)18-5-7-19(8-6-18)21(26)24-11-13-25(14-12-24)22(27)23(28)9-10-23/h16-20,28H,3-15H2,1-2H3.
What are the key properties of [4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
[4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 390.57 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 153420618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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